SCHEMBL12801464

SCHEMBL12801464

C=Cc1c(F)cccc1I

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.39
IKBKB O14920 1/20 0.33
KCNH2 Q12809 4/20 0.32
MAT2A P31153 1/20 0.32
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL193995 0.83 NFE2L2 (0.46) NFE2L2IKBKBKCNH2MAT2ARAB9A
SCHEMBL22288220 0.83 ALDH1A1 (0.35) TDP1
SCHEMBL829563 0.77 ERN1 (0.42) NFE2L2IKBKBKCNH2MAT2AABCG2
SCHEMBL27298431 0.77 ALDH1A1 (0.34) RAB9AHPGDKDM4ENPC1LMNA
SCHEMBL10038011 0.74 ALDH1A1 (0.39)
SCHEMBL16933848 0.74 NFE2L2 (0.50) NFE2L2IKBKBKCNH2MAT2ARAB9A
SCHEMBL23746786 0.73 NFE2L2 (0.39) NFE2L2IKBKBKCNH2MAT2ARAB9A
SCHEMBL29700809 0.73 HPGD (0.47) KCNH2MAT2ARAB9AHPGDKDM4E
SCHEMBL1986111 0.73 MAOB (0.42) NFE2L2IKBKBKCNH2MAT2ARAB9A
SCHEMBL29947357 0.73 MAOB (0.42) NFE2L2IKBKBKCNH2MAT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023007426-A1 NOVEL STYRENE COMPOUNDS AND A PROCESS FOR THE PREPARATION THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
WO-2011040510-A1 INDAZOLE ANALOGUE 旭化成ファーマ株式会社 (JP) 2011-04-07 WO disclosed